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Mesoscale Structures in the Adlayer of A-B-2 Heterogeneous Catalysis
Sun, Fei1,2; Huang, Wen Lai1; Li, Jinghai1
2017-10-24
Source PublicationLANGMUIR
ISSN0743-7463
Volume33Issue:42Pages:11582-11589
Abstract

This article explores the adsorbate, distributions in the adlayer for a model A-B-2 system of heterogeneous catalysis, i.e., A+ 1/2B(2) -> AB, via.kinetic Monte Carlo (KMC) simulations. In comparison with our previous work on the A-B model (Sun, F.; Huang, W.; Li, J. Structural characteristics of the adlayer in heterogeneous catalysis. Chem. Eng. Sci. 2016, 153, 87-92), species B-2 here brings about significant new features due to its special site requirement during adsorption and desorption and a different stoichiometric ratio in reactions. The effects of various kinetic processes on the adsorbate distribution are found to be similar to those in the A-B system; that is, both desorption and diffusion (besides adsorption) processes contribute to the adlayer uniforniity while reactions account for clustering. However, desorption exhibits a stronger role than diffusion in homogenizing the adlayer, which is opposite to the finding in the previous A-B model. Under a fixed partial pressure, different reaction and desorption rate constants can lead to steady states with different dominant species, which has not been observed in the A-B system. The regime of species B poisoning shrinks as well, leading to the spreading of the coexisting regime, in comparison with the A-B model.

SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences ; Technology
DOI10.1021/acs.langmuir.7b01930
Indexed BySCI
Language英语
WOS KeywordSPATIOTEMPORAL SELF-ORGANIZATION ; KINETIC PHASE-TRANSITIONS ; CO OXIDATION REACTION ; PATTERN-FORMATION ; CARBON-MONOXIDE ; SUPPORTED PLATINUM ; SURFACE-REACTIONS ; REACTION MODEL ; PT(110) ; SIMULATIONS
WOS Research AreaChemistry ; Materials Science
WOS SubjectChemistry, Multidisciplinary ; Chemistry, Physical ; Materials Science, Multidisciplinary
Funding OrganizationNational Natural Science Foundation of China(91334102 ; Research Center for Mesoscience at Institute of Process Engineering, Chinese Academy of Sciences(COM2015A002) ; 91534104)
WOS IDWOS:000413992700050
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/23374
Collection多相复杂系统国家重点实验室
Affiliation1.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing 100190, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
Recommended Citation
GB/T 7714
Sun, Fei,Huang, Wen Lai,Li, Jinghai. Mesoscale Structures in the Adlayer of A-B-2 Heterogeneous Catalysis[J]. LANGMUIR,2017,33(42):11582-11589.
APA Sun, Fei,Huang, Wen Lai,&Li, Jinghai.(2017).Mesoscale Structures in the Adlayer of A-B-2 Heterogeneous Catalysis.LANGMUIR,33(42),11582-11589.
MLA Sun, Fei,et al."Mesoscale Structures in the Adlayer of A-B-2 Heterogeneous Catalysis".LANGMUIR 33.42(2017):11582-11589.
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